UCSF

ZINC33723245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 12.6 -66.52 1 6 0 74 454.542 11
Lo Low (pH 4.5-6) 4.00 11.3 -49.76 2 6 1 71 455.55 11

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )